Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Fenris Lu"'
Autor:
Fenris Lu, Lixue Cheng, Ryan J. DiRisio, Jacob M. Finney, Mark A. Boyer, Pattarapon Moonkaen, Jiace Sun, Sebastian J. R. Lee, J. Emiliano Deustua, Thomas F. Miller, Anne B. McCoy
A machine-learning based approach for evaluating potential energies for quantum mechanical studies of properties of the ground and excited vibrational states of small molecules is developed. This approach uses the molecular-orbital-based machine lear
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::337e83e8e01962ece241f6ee66f0a254
https://resolver.caltech.edu/CaltechAUTHORS:20220721-8916000
https://resolver.caltech.edu/CaltechAUTHORS:20220721-8916000
Autor:
Fenris Lu, Anne McCoy
Publikováno v:
Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c2357b1a3df3bfe46854caddf9e6fca4
https://doi.org/10.15278/isms.2022.tk02
https://doi.org/10.15278/isms.2022.tk02
Publikováno v:
Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::859854361cdffeac2183d48a2242517b
https://doi.org/10.15278/isms.2022.tk03
https://doi.org/10.15278/isms.2022.tk03
Autor:
Fenris, Lu, Lixue, Cheng, Ryan J, DiRisio, Jacob M, Finney, Mark A, Boyer, Pattarapon, Moonkaen, Jiace, Sun, Sebastian J R, Lee, J Emiliano, Deustua, Thomas F, Miller, Anne B, McCoy
Publikováno v:
The journal of physical chemistry. A. 126(25)
A machine-learning based approach for evaluating potential energies for quantum mechanical studies of properties of the ground and excited vibrational states of small molecules is developed. This approach uses the molecular-orbital-based machine lear
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::4c038ffe17aaffd20ddf72fdd8d213c4
https://pubmed.ncbi.nlm.nih.gov/35715227
https://pubmed.ncbi.nlm.nih.gov/35715227
Publikováno v:
The journal of physical chemistry. A. 125(26)
Diffusion Monte Carlo (DMC) provides a powerful method for understanding the vibrational landscape of molecules that are not well-described by conventional methods. The most computationally demanding step of these calculations is the evaluation of th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8ee90e72f943c1786d72df29223d2f0
https://pubmed.ncbi.nlm.nih.gov/34165989
https://pubmed.ncbi.nlm.nih.gov/34165989
Publikováno v:
Proceedings of the 2021 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::651632255576a817d6404b2514393e14
https://doi.org/10.15278/isms.2021.wk02
https://doi.org/10.15278/isms.2021.wk02
Publikováno v:
Proceedings of the 2020 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f5de259d92d99ba3fa903b0715031e0a
https://doi.org/10.15278/isms.2020.tk03
https://doi.org/10.15278/isms.2020.tk03